SCHEMBL6878402

SCHEMBL6878402

COc1ccccc1NC(=S)NC1CCC(Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALOX12 P18054 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
THRB P10828 1/20 0.56
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6878392 1.00 LMNA (0.56) LMNANPSR1ALOX12SMN1; SMN2THRB
SCHEMBL6876015 0.90 LMNA (0.60) LMNANPSR1ALOX12SMN1; SMN2THRB
SCHEMBL6876029 0.90 LMNA (0.60) LMNANPSR1ALOX12SMN1; SMN2THRB
SCHEMBL6463074 0.89 ALDH1A1 (0.48) LMNANPSR1ALOX12SMN1; SMN2THRB
SCHEMBL6463067 0.89 ALDH1A1 (0.48) LMNANPSR1ALOX12SMN1; SMN2THRB
SCHEMBL6876950 0.88 L3MBTL1 (0.46) LMNANPSR1ALOX12SMN1; SMN2THRB
SCHEMBL6876961 0.88 L3MBTL1 (0.46) LMNANPSR1ALOX12SMN1; SMN2THRB
SCHEMBL6868258 0.86 ALDH1A1 (0.63) LMNANPSR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6460836 0.86 ALDH1A1 (0.57) LMNANPSR1ALOX12SMN1; SMN2THRB
SCHEMBL6868252 0.86 ALDH1A1 (0.63) LMNANPSR1SMN1; SMN2ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed